4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid

C15H14N2O4 — CID 107264616

IUPAC4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccncc1)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H14N2O4/c18-13-3-2-11(15(20)21)9-12(13)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,5-9,18H,1,4H2,(H,17,19)(H,20,21)
InChIKeyRHECSPSBFBCTKE-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.06
Rot. Bonds5

About 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid

4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid (PubChem CID 107264616) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
PubChem CID107264616
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccncc1)Nc1cc(C(=O)O)ccc1O
InChIInChI=1S/C15H14N2O4/c18-13-3-2-11(15(20)21)9-12(13)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,5-9,18H,1,4H2,(H,17,19)(H,20,21)
InChIKeyRHECSPSBFBCTKE-UHFFFAOYSA-N
XLogP2.06
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360
3-[3-(furan-2-yl)propanoylamino]-4-hydroxybenzoic acid
CID 107264676
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592
4-hydroxy-3-(4-phenoxybutanoylamino)benzoic acid
CID 108753979
3-[(6-amino-4-methylhexanoyl)amino]-4-hydroxybenzoic acid
CID 107265243
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
3-[3-(4-ethylphenoxy)propanoylamino]-4-hydroxybenzoic acid
CID 108730271
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
CID 107265319
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The IUPAC name of 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid (CID 107264616) is 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid is O=C(CCc1ccncc1)Nc1cc(C(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid?
The InChIKey is RHECSPSBFBCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-3-2-11(15(20)21)9-12(13)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,5-9,18H,1,4H2,(H,17,19)(H,20,21).
What are the key properties of 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid?
4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-pyridin-4-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 107264616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).